CID 64981658

2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1CC(OC1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H9NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKey
MEPUJIXKIDJYNN-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

199.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.037596 141.3
[M+Na]+ 222.019538 149.3
[M-H]- 198.023044 146.7
[M+NH4]+ 217.064143 161.2
[M+K]+ 237.993478 148.8
[M+H-H2O]+ 182.027580 136.2
[M+HCOO]- 244.028521 157.7
[M+CH3COO]- 258.044171 176.1
[M+Na-2H]- 220.004986 141.0
[M]+ 199.02977142 142.2
[M]- 199.03086858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe